4-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine

C17H15N5S — CID 2863114

IUPAC4-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine
SMILESCc1nc2ccccn2c1-c1csc(Nc2ccc(N)cc2)n1
InChIInChI=1S/C17H15N5S/c1-11-16(22-9-3-2-4-15(22)19-11)14-10-23-17(21-14)20-13-7-5-12(18)6-8-13/h2-10H,18H2,1H3,(H,20,21)
InChIKeyDVTZUKBPCGZIMH-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.09
Rot. Bonds3

About 4-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine

4-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine (PubChem CID 2863114) has the molecular formula C17H15N5S and a molecular weight of 321.41 g/mol. Its IUPAC name is 4-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine
PubChem CID2863114
Molecular FormulaC17H15N5S
Molecular Weight321.41 g/mol
Exact Mass321.10
IUPAC Name4-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine
SMILESCc1nc2ccccn2c1-c1csc(Nc2ccc(N)cc2)n1
InChIInChI=1S/C17H15N5S/c1-11-16(22-9-3-2-4-15(22)19-11)14-10-23-17(21-14)20-13-7-5-12(18)6-8-13/h2-10H,18H2,1H3,(H,20,21)
InChIKeyDVTZUKBPCGZIMH-UHFFFAOYSA-N
XLogP4.09
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine?
The IUPAC name of 4-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine (CID 2863114) is 4-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine is Cc1nc2ccccn2c1-c1csc(Nc2ccc(N)cc2)n1.
What is the InChIKey of 4-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine?
The InChIKey is DVTZUKBPCGZIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5S/c1-11-16(22-9-3-2-4-15(22)19-11)14-10-23-17(21-14)20-13-7-5-12(18)6-8-13/h2-10H,18H2,1H3,(H,20,21).
What are the key properties of 4-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine?
4-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine has a molecular weight of 321.41 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine is sourced from PubChem (CID 2863114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).